Information card for entry 7044411

Structure parameters

• Formula: C53 H39 Cu2 N11 O6
• Calculated formula: C53 H39 Cu2 N11 O6
• SMILES: [Cu]1234N(c5c6[n]2cccc6ccc5)C(=O)c2cccc(C(=O)N5[Cu]67([n]8c9c(cccc9ccc8)N6C(=O)c6[n]7c(C(=O)N1c1c7[n]3cccc7ccc1)ccc6)[n]1c3c5cccc3ccc1)[n]42.C(=O)N(C)C.O
• Title of publication: µ-Pyridine bridged Copper Complex with Robust Proton Reducing Ability
• Authors of publication: Majee, Karunamay; Patel, Jully; Das, Babulal; Padhi, Sumanta Kumar
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.3335 ± 0.0005 Å
• b: 28.178 ± 0.001 Å
• c: 15.8677 ± 0.0006 Å
• α: 90°
• β: 109.306 ± 0.002°
• γ: 90°
• Cell volume: 4782.5 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No